Molecule

ID:76866

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁N
Molecular Mass
121.17964
Exact Mass
121.08914936
Charge
0
InChI
InChI=1S/C8H11N/c1-2-3-8-4-6-9-7-5-8/h4-7H,2-3H2,1H3
InChIKey
JAWZAONCXMJLFT-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccncc1
Isomeric Smiles
n1ccc(cc1)CCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7988423
LogD (pH = 7.4)
2.149963
Log P
2.158132
Molar Refractivity
38.1443
Polarizability
14.899972
Polar Surface Area
12.89
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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